SMILES:
CCc1cnc(-c2ccc3c(c2)CCC3N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nc1Molecular Processing
Molecular formula
C27H36N4O2
Molecular weight
448.61
Exact mass
448.2838
XLogP
5.03
TPSA
58.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.593
Molar refractivity
128.96
Supplementary Information
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